Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.46 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.59 |
| ▸ | TNKS | O95271 | 2/20 | 0.55 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 4/20 | 0.46 |
| ▸ | MLLT1 | Q03111 | 3/20 | 0.43 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22077815 | 0.99 | KDM2B (0.60) | KDM2BTNKSTNKS2MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL22031850 | 0.90 | TNKS (0.56) | KDM2BTNKSTNKS2MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL22031762 | 0.90 | TNKS (0.56) | KDM2BTNKSTNKS2MEN1CYP2D6 | |
| SCHEMBL29472518 | 0.88 | TNKS (0.57) | KDM2BTNKSTNKS2MEN1CYP2D6 | |
| SCHEMBL22031836 | 0.88 | TNKS (0.57) | KDM2BTNKSTNKS2MEN1CYP2D6 | |
| SCHEMBL18725936 | 0.82 | TNKS (0.64) | KDM2BTNKSTNKS2MEN1KMT2A | |
| SCHEMBL23464191 | 0.77 | KHK (0.53) | KDM2BPTGER3MAOBMAOAACHE | |
| SCHEMBL22031785 | 0.77 | TNKS (0.58) | KDM2BTNKSTNKS2KMT2A | |
| Hydrochloric Acid SCHEMBL21381782 | 0.76 | PDE1C (0.45) | PTGER3KDM1AKHKPDE1C | |
| SCHEMBL31023710 | 0.76 | MAOB (0.43) | KDM2BTNKSTNKS2PTGER3KDM1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3891136-A1 | 4-HETEROARYLCARBONYL-N-(PHENYL OR HETEROARYL) PIPERIDINE-1-CARBOXAMIDES AS INHIBITORS OF TANKYRASES | Merck Patent GmbH (DE) | 2021-10-13 | — | — | EP | disclosed |
| CN-113166097-A | 4-heteroarylcarbonyl-N- (phenyl or heteroaryl) piperidine-1-carboxamides as tankyrase inhibitors | 默克专利股份公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2020114892-A1 | 4-HETEROARYLCARBONYL-N-(PHENYL OR HETEROARYL) PIPERIDINE-1-CARBOXAMIDES AS INHIBITORS OF TANKYRASES | MERCK PATENT GMBH (DE) | 2020-06-11 | — | — | WO | disclosed |